N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide

C14H20N2OS — CID 81456686

IUPACN-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide
SMILESCCN(C(=O)C1(C)CCCS1)c1ccccc1N
InChIInChI=1S/C14H20N2OS/c1-3-16(12-8-5-4-7-11(12)15)13(17)14(2)9-6-10-18-14/h4-5,7-8H,3,6,9-10,15H2,1-2H3
InChIKeyUBLPAVQSJPXUFC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.91
Rot. Bonds3

About N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide

N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide (PubChem CID 81456686) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide
PubChem CID81456686
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide
SMILESCCN(C(=O)C1(C)CCCS1)c1ccccc1N
InChIInChI=1S/C14H20N2OS/c1-3-16(12-8-5-4-7-11(12)15)13(17)14(2)9-6-10-18-14/h4-5,7-8H,3,6,9-10,15H2,1-2H3
InChIKeyUBLPAVQSJPXUFC-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
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(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
CID 105128593
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-(cyanomethyl)-N-ethyl-2-methylthiolane-2-carboxamide
CID 81003628
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CID 81455295
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CID 107000282
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477
N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 62276098
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
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CID 65157069

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide (CID 81456686) is N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide is CCN(C(=O)C1(C)CCCS1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide?
The InChIKey is UBLPAVQSJPXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-16(12-8-5-4-7-11(12)15)13(17)14(2)9-6-10-18-14/h4-5,7-8H,3,6,9-10,15H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide?
N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81456686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).